Name: Name:2-((Pyridin-4-ylmethyl)amino)nicotinic acid
Brand: Angene
SKU: AG004JXS
Rating: 90 (10 reviews)

2-((Pyridin-4-ylmethyl)amino)nicotinic acid

CAS No.:

854382-06-2

Catalog Number:

AG004JXS

Molecular Formula:

C12H11N3O2

Molecular Weight:

229.2346

Catalog Number:

AG004JXS

Chemical Name:

2-((Pyridin-4-ylmethyl)amino)nicotinic acid

CAS Number:

854382-06-2

Molecular Formula:

C12H11N3O2

Molecular Weight:

229.2346

MDL Number:

MFCD11118784

IUPAC Name:

2-(pyridin-4-ylmethylamino)pyridine-3-carboxylic acid

InChI:

InChI=1S/C12H11N3O2/c16-12(17)10-2-1-5-14-11(10)15-8-9-3-6-13-7-4-9/h1-7H,8H2,(H,14,15)(H,16,17)

InChI Key:

LSJUTHAZYSYYJZ-UHFFFAOYSA-N

SMILES:

OC(=O)c1cccnc1NCc1ccncc1

Complexity:

254

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

229.085g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

229.239g/mol

Monoisotopic Mass:

229.085g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

75.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7